6-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1H-quinolin-2-one

C12H10N4O3 — CID 89489488

IUPAC6-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1H-quinolin-2-one
SMILESNc1nnc(COc2ccc3[nH]c(=O)ccc3c2)o1
InChIInChI=1S/C12H10N4O3/c13-12-16-15-11(19-12)6-18-8-2-3-9-7(5-8)1-4-10(17)14-9/h1-5H,6H2,(H2,13,16)(H,14,17)
InChIKeyOTVYDLXTMDXOEE-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.07
Rot. Bonds3

About 6-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1H-quinolin-2-one

6-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1H-quinolin-2-one (PubChem CID 89489488) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 6-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1H-quinolin-2-one
PubChem CID89489488
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name6-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1H-quinolin-2-one
SMILESNc1nnc(COc2ccc3[nH]c(=O)ccc3c2)o1
InChIInChI=1S/C12H10N4O3/c13-12-16-15-11(19-12)6-18-8-2-3-9-7(5-8)1-4-10(17)14-9/h1-5H,6H2,(H2,13,16)(H,14,17)
InChIKeyOTVYDLXTMDXOEE-UHFFFAOYSA-N
XLogP1.07
TPSA107.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Acetamide, N-(4-((5-(phenylamino)-1,3,4-oxadiazol-2-yl)methoxy)phenyl)-
CID 3073650
Acetamide, N-(4-((5-((4-methylphenyl)amino)-1,3,4-oxadiazol-2-yl)methoxy)phenyl)-
CID 3073651
3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one
CID 155816223
6-[3-(1,3,4-oxadiazol-2-yl)propoxy]-1H-quinolin-2-one
CID 12836979
6-[3-(tetrazol-2-yl)propoxy]-1H-quinolin-2-one
CID 14207188
6-[cyclohexyl(2H-tetrazol-5-yl)methoxy]-1H-quinolin-2-one
CID 53667550
6-[2-phenyl-1-(2H-tetrazol-5-yl)ethoxy]-1H-quinolin-2-one
CID 53944727
6-[[5-(benzylamino)-1,3,4-oxadiazol-2-yl]methoxy]-1H-quinolin-2-one
CID 89476296
5-[(5-Amino-1,3,4-oxadiazol-2-yl)methoxy]-1,3-dihydroindol-2-one
CID 89489491
N-(4-methoxy-2-methylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5217489
N-[4-[[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide
CID 10428199
N-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]benzamide
CID 72075899

Frequently Asked Questions

What is the IUPAC name of 6-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1H-quinolin-2-one?
The IUPAC name of 6-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1H-quinolin-2-one (CID 89489488) is 6-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1H-quinolin-2-one.
What is the SMILES notation for 6-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1H-quinolin-2-one?
The canonical SMILES for 6-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1H-quinolin-2-one is Nc1nnc(COc2ccc3[nH]c(=O)ccc3c2)o1.
What is the InChIKey of 6-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1H-quinolin-2-one?
The InChIKey is OTVYDLXTMDXOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c13-12-16-15-11(19-12)6-18-8-2-3-9-7(5-8)1-4-10(17)14-9/h1-5H,6H2,(H2,13,16)(H,14,17).
What are the key properties of 6-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1H-quinolin-2-one?
6-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1H-quinolin-2-one has a molecular weight of 258.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1H-quinolin-2-one is sourced from PubChem (CID 89489488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).